DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics

The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)(2) has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the des...

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Detalles Bibliográficos
Autores principales: Avagliano, Davide, Sánchez-Murcia, Pedro A., González, Leticia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6484825/
https://www.ncbi.nlm.nih.gov/pubmed/30801589
http://dx.doi.org/10.1039/c8cp07508e
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author Avagliano, Davide
Sánchez-Murcia, Pedro A.
González, Leticia
author_facet Avagliano, Davide
Sánchez-Murcia, Pedro A.
González, Leticia
author_sort Avagliano, Davide
collection PubMed
description The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)(2) has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the design of spiropyran photoswitches with specific binding modes to DNA.
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spelling pubmed-64848252019-05-03 DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics Avagliano, Davide Sánchez-Murcia, Pedro A. González, Leticia Phys Chem Chem Phys Chemistry The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)(2) has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the design of spiropyran photoswitches with specific binding modes to DNA. Royal Society of Chemistry 2019-05-07 2019-02-15 /pmc/articles/PMC6484825/ /pubmed/30801589 http://dx.doi.org/10.1039/c8cp07508e Text en This journal is © The Royal Society of Chemistry 2019 http://creativecommons.org/licenses/by-nc/3.0/ This article is freely available. This article is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported Licence (CC BY-NC 3.0)
spellingShingle Chemistry
Avagliano, Davide
Sánchez-Murcia, Pedro A.
González, Leticia
DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title_full DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title_fullStr DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title_full_unstemmed DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title_short DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics
title_sort dna-binding mechanism of spiropyran photoswitches: the role of electrostatics
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6484825/
https://www.ncbi.nlm.nih.gov/pubmed/30801589
http://dx.doi.org/10.1039/c8cp07508e
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AT gonzalezleticia dnabindingmechanismofspiropyranphotoswitchestheroleofelectrostatics

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